+
+@Article{heine91,
+ author = "Volker Heine and Ching Cheng and Richard J. Needs",
+ title = "The Preference of Silicon Carbide for Growth in the
+ Metastable Cubic Form",
+ journal = "J. Am. Ceram. Soc.",
+ volume = "74",
+ number = "10",
+ publisher = "Blackwell Publishing Ltd",
+ ISSN = "1551-2916",
+ URL = "http://dx.doi.org/10.1111/j.1151-2916.1991.tb06811.x",
+ doi = "10.1111/j.1151-2916.1991.tb06811.x",
+ pages = "2630--2633",
+ keywords = "silicon carbide, crystal growth, crystal structure,
+ calculations, stability",
+ year = "1991",
+ notes = "3c-sic metastable, 3c-sic preferred growth, sic
+ polytype dft calculation refs",
+}
+
+@Article{allendorf91,
+ title = "The adsorption of {H}-atoms on polycrystalline
+ [beta]-silicon carbide",
+ journal = "Surf. Sci.",
+ volume = "258",
+ number = "1-3",
+ pages = "177--189",
+ year = "1991",
+ note = "",
+ ISSN = "0039-6028",
+ doi = "DOI: 10.1016/0039-6028(91)90912-C",
+ URL = "http://www.sciencedirect.com/science/article/B6TVX-46T3BSB-24V/2/534f1f4786088ceb88b6d31eccb096b3",
+ author = "Mark D. Allendorf and Duane A. Outka",
+ notes = "h adsorption on 3c-sic",
+}
+
+@Article{eaglesham93,
+ author = "D. J. Eaglesham and F. C. Unterwald and H. Luftman and
+ D. P. Adams and S. M. Yalisove",
+ collaboration = "",
+ title = "Effect of {H} on Si molecular-beam epitaxy",
+ publisher = "AIP",
+ year = "1993",
+ journal = "J. Appl. Phys.",
+ volume = "74",
+ number = "11",
+ pages = "6615--6618",
+ keywords = "SILICON; MOLECULAR BEAM EPITAXY; HYDROGEN; SURFACE
+ CONTAMINATION; SIMS; SEGREGATION; IMPURITIES;
+ DIFFUSION; ADSORPTION",
+ URL = "http://link.aip.org/link/?JAP/74/6615/1",
+ doi = "10.1063/1.355101",
+ notes = "h incorporation on si surface, lower surface
+ mobility",
+}
+
+@Article{newman85,
+ author = "Ronald C. Newman",
+ title = "Carbon in Crystalline Silicon",
+ journal = "MRS Proc.",
+ volume = "59",
+ number = "",
+ pages = "403",
+ year = "1985",
+ doi = "10.1557/PROC-59-403",
+ URL = "http://dx.doi.org/10.1557/PROC-59-403",
+ eprint = "http://journals.cambridge.org/article_S194642740054367X",
+}
+
+@Article{newman61,
+ title = "The diffusivity of carbon in silicon",
+ journal = "J. Phys. Chem. Solids",
+ volume = "19",
+ number = "3-4",
+ pages = "230--234",
+ year = "1961",
+ note = "",
+ ISSN = "0022-3697",
+ doi = "DOI: 10.1016/0022-3697(61)90032-4",
+ URL = "http://www.sciencedirect.com/science/article/B6TXR-46M72R1-4D/2/9235472e4c0a95bf7b995769474f5fbd",
+ author = "R. C. Newman and J. Wakefield",
+ notes = "diffusivity of substitutional c in si",
+}
+
+@Article{goesele85,
+ author = "U. Gösele",
+ title = "The Role of Carbon and Point Defects in Silicon",
+ journal = "MRS Proc.",
+ volume = "59",
+ number = "",
+ pages = "419",
+ year = "1985",
+ doi = "10.1557/PROC-59-419",
+ URL = "http://dx.doi.org/10.1557/PROC-59-419",
+ eprint = "http://journals.cambridge.org/article_S1946427400543681",
+}
+
+@Article{mukashev82,
+ title = "Defects in Carbon-Implanted Silicon",
+ author = "Bulat N. Mukashev and Alexey V. Spitsyn and Noboru
+ Fukuoka and Haruo Saito",
+ journal = "Japanese J. Appl. Phys.",
+ volume = "21",
+ number = "Part 1, No. 2",
+ pages = "399--400",
+ numpages = "1",
+ year = "1982",
+ URL = "http://jjap.jsap.jp/link?JJAP/21/399/",
+ doi = "10.1143/JJAP.21.399",
+ publisher = "The Japan Society of Applied Physics",
+}
+
+@Article{puska98,
+ title = "Convergence of supercell calculations for point
+ defects in semiconductors: Vacancy in silicon",
+ author = "M. J. Puska and S. P{\"o}ykk{\"o} and M. Pesola and R.
+ M. Nieminen",
+ journal = "Phys. Rev. B",
+ volume = "58",
+ number = "3",
+ pages = "1318--1325",
+ numpages = "7",
+ year = "1998",
+ month = jul,
+ doi = "10.1103/PhysRevB.58.1318",
+ publisher = "American Physical Society",
+ notes = "convergence k point supercell size, vacancy in
+ silicon",
+}
+
+@Article{serre95,
+ author = "C. Serre and A. P\'{e}rez-Rodr\'{\i}guez and A.
+ Romano-Rodr\'{\i}guez and J. R. Morante and R.
+ K{\"{o}}gler and W. Skorupa",
+ collaboration = "",
+ title = "Spectroscopic characterization of phases formed by
+ high-dose carbon ion implantation in silicon",
+ publisher = "AIP",
+ year = "1995",
+ journal = "J. Appl. Phys.",
+ volume = "77",
+ number = "7",
+ pages = "2978--2984",
+ keywords = "SILICON; ION IMPLANTATION; PHASE STUDIES; CARBON IONS;
+ FOURIER TRANSFORM SPECTROSCOPY; RAMAN SPECTRA;
+ PHOTOELECTRON SPECTROSCOPY; TEM; TEMPERATURE
+ DEPENDENCE; PRECIPITATES; ANNEALING",
+ URL = "http://link.aip.org/link/?JAP/77/2978/1",
+ doi = "10.1063/1.358714",
+}
+
+@Article{romano-rodriguez96,
+ title = "Detailed analysis of [beta]-Si{C} formation by high
+ dose carbon ion implantation in silicon",
+ journal = "Materials Science and Engineering B",
+ volume = "36",
+ number = "1-3",
+ pages = "282--285",
+ year = "1996",
+ note = "European Materials Research Society 1995 Spring
+ Meeting, Symposium N: Carbon, Hydrogen, Nitrogen, and
+ Oxygen in Silicon and in Other Elemental
+ Semiconductors",
+ ISSN = "0921-5107",
+ doi = "DOI: 10.1016/0921-5107(95)01283-4",
+ URL = "http://www.sciencedirect.com/science/article/B6TXF-3VR7691-25/2/995fd57b9e5c1100558f80c472620408",
+ author = "A. Romano-Rodriguez and C. Serre and L. Calvo-Barrio
+ and A. Pérez-Rodríguez and J. R. Morante and R. Kögler
+ and W. Skorupa",
+ keywords = "Silicon",
+ keywords = "Ion implantation",
+ notes = "incoherent 3c-sic precipitate",
+}
+
+@Article{davidson75,
+ title = "The iterative calculation of a few of the lowest
+ eigenvalues and corresponding eigenvectors of large
+ real-symmetric matrices",
+ journal = "J. Comput. Phys.",
+ volume = "17",
+ number = "1",
+ pages = "87--94",
+ year = "1975",
+ note = "",
+ ISSN = "0021-9991",
+ doi = "DOI: 10.1016/0021-9991(75)90065-0",
+ URL = "http://www.sciencedirect.com/science/article/pii/0021999175900650",
+ author = "Ernest R. Davidson",
+}
+
+@Book{adorno_mm,
+ title = "Minima Moralia: Reflexionen aus dem besch{\"a}digten
+ Leben",
+ author = "T. W. Adorno",
+ ISBN = "978-3-518-01236-9",
+ URL = "http://books.google.com/books?id=coZqRAAACAAJ",
+ year = "1994",
+ publisher = "Suhrkamp",
+}
+
+@Misc{attenberger03,
+ author = "Wilfried Attenberger and Jörg Lindner and Bernd
+ Stritzker",
+ title = "A {method} {for} {forming} {a} {layered}
+ {semiconductor} {structure} {and} {corresponding}
+ {structure}",
+ year = "2003",
+ month = apr,
+ day = "24",
+ note = "WO 2003/034484 A3R4",
+ version = "A3R4",
+ howpublished = "Patent Application",
+ nationality = "WO",
+ filing_num = "EP0211423",
+ yearfiled = "2002",
+ monthfiled = "10",
+ dayfiled = "11",
+ pat_refs = "",
+ ipc_class = "7B 81C 1/00 B; 7H 01L 21/04 B; 7H 01L 21/265 B; 7H 01L
+ 21/322 B; 7H 01L 21/324 B; 7H 01L 21/74 A; 7H 01L
+ 21/762 B; 7H 01L 29/165 B; 7H 01L 33/00 B",
+ us_class = "",
+ abstract = "The following invention provides a method for forming
+ a layered semiconductor structure having a layer (5) of
+ a first semiconductor material on a substrate (1; 1')
+ of at least one second semiconductor material,
+ comprising the steps of: providing said substrate (1;
+ 1'); burying said layer (5) of said first semiconductor
+ material in said substrate (1; 1'), said buried layer
+ (5) having an upper surface (105) and a lower surface
+ (105) and dividing said substrate (1; 1') into an upper
+ part (1a) and a lower part (1b; 1b', 1c); creating a
+ buried damage layer (10; 10'; 10'', 100'') which at
+ least partly adjoins and/or at least partly includes
+ said upper surface (105) of said buried layer (5); and
+ removing said upper part (1a) of said substrate (1; 1')
+ and said buried damage layer (10; 10'; 10'', 100'') for
+ exposing said buried layer (5). The invention also
+ provides a corresponding layered semiconductor
+ structure.",
+}
+
+@Article{zunger01,
+ author = "Alex Zunger",
+ title = "Pseudopotential Theory of Semiconductor Quantum Dots",
+ journal = "physica status solidi (b)",
+ volume = "224",
+ number = "3",
+ publisher = "WILEY-VCH Verlag Berlin GmbH",
+ ISSN = "1521-3951",
+ URL = "http://dx.doi.org/10.1002/(SICI)1521-3951(200104)224:3<727::AID-PSSB727>3.0.CO;2-9",
+ doi = "10.1002/(SICI)1521-3951(200104)224:3<727::AID-PSSB727>3.0.CO;2-9",
+ pages = "727--734",
+ keywords = "71.15.Dx, 73.21.La, S5.11, S5.12, S7.11, S7.12, S8.11,
+ S8.12",
+ year = "2001",
+ notes = "configuration-interaction method, ci",
+}
+
+@Article{robertson90,
+ author = "I. J. Robertson and M. C. Payne",
+ title = "k-point sampling and the k.p method in pseudopotential
+ total energy calculations",
+ journal = "Journal of Physics: Condensed Matter",
+ volume = "2",
+ number = "49",
+ pages = "9837",
+ URL = "http://stacks.iop.org/0953-8984/2/i=49/a=010",
+ year = "1990",
+ notes = "kp method",
+}
+
+@Article{lange11,
+ volume = "84",
+ journal = "Phys. Rev. B",
+ author = "Bj{\"o}rn Lange and Christoph Freysoldt and J{\"o}rg
+ Neugebauer",
+ month = aug,
+ URL = "http://link.aps.org/doi/10.1103/PhysRevB.84.085101",
+ doi = "10.1103/PhysRevB.84.085101",
+ year = "2011",
+ title = "Construction and performance of fully numerical
+ optimum atomic basis sets",
+ issue = "8",
+ publisher = "American Physical Society",
+ numpages = "11",
+ pages = "085101",
+ notes = "quamol, basis set, for planc",
+}
+
+@Article{artacho91,
+ volume = "43",
+ journal = "Phys. Rev. A",
+ author = "Emilio Artacho and Lorenzo Mil\'ans del Bosch",
+ month = jun,
+ URL = "http://link.aps.org/doi/10.1103/PhysRevA.43.5770",
+ doi = "10.1103/PhysRevA.43.5770",
+ year = "1991",
+ title = "Nonorthogonal basis sets in quantum mechanics:
+ Representations and second quantization",
+ issue = "11",
+ publisher = "American Physical Society",
+ pages = "5770--5777",
+ notes = "non-orthogonal basis set",
+}
+
+@Article{loewdin50,
+ author = "Per-Olov L{\"{o}}wdin",
+ collaboration = "",
+ title = "On the Non-Orthogonality Problem Connected with the
+ Use of Atomic Wave Functions in the Theory of Molecules
+ and Crystals",
+ publisher = "AIP",
+ year = "1950",
+ journal = "The Journal of Chemical Physics",
+ volume = "18",
+ number = "3",
+ pages = "365--375",
+ URL = "http://link.aip.org/link/?JCP/18/365/1",
+ doi = "10.1063/1.1747632",
+ notes = "non orthogonal basis set",
+}
+
+@Article{loewdin68,
+ author = "Per-Olov Löwdin",
+ title = "Studies in perturbation theory {XIII}. Treatment of
+ constants of motion in resolvent method, partitioning
+ technique, and perturbation theory",
+ journal = "International Journal of Quantum Chemistry",
+ volume = "2",
+ number = "6",
+ publisher = "John Wiley & Sons, Inc.",
+ ISSN = "1097-461X",
+ URL = "http://dx.doi.org/10.1002/qua.560020612",
+ doi = "10.1002/qua.560020612",
+ pages = "867--931",
+ year = "1968",
+}
+
+@Article{chadi77,
+ volume = "16",
+ journal = "Phys. Rev. B",
+ author = "D. J. Chadi",
+ month = oct,
+ URL = "http://link.aps.org/doi/10.1103/PhysRevB.16.3572",
+ doi = "10.1103/PhysRevB.16.3572",
+ year = "1977",
+ title = "Localized-orbital description of wave functions and
+ energy bands in semiconductors",
+ issue = "8",
+ publisher = "American Physical Society",
+ pages = "3572--3578",
+ notes = "localized orbitals",
+}
+
+@Article{wigner33,
+ volume = "43",
+ journal = "Phys. Rev.",
+ author = "E. Wigner and F. Seitz",
+ month = may,
+ URL = "http://link.aps.org/doi/10.1103/PhysRev.43.804",
+ doi = "10.1103/PhysRev.43.804",
+ year = "1933",
+ title = "On the Constitution of Metallic Sodium",
+ issue = "10",
+ publisher = "American Physical Society",
+ pages = "804--810",
+ notes = "wigner seitz method",
+}
+
+@Article{herring40,
+ volume = "57",
+ journal = "Phys. Rev.",
+ author = "Conyers Herring",
+ month = jun,
+ URL = "http://link.aps.org/doi/10.1103/PhysRev.57.1169",
+ doi = "10.1103/PhysRev.57.1169",
+ year = "1940",
+ title = "A New Method for Calculating Wave Functions in
+ Crystals",
+ issue = "12",
+ publisher = "American Physical Society",
+ pages = "1169--1177",
+ notes = "orthogonalized plane wave method, opw",
+}
+
+@Article{slater53,
+ volume = "92",
+ journal = "Phys. Rev.",
+ author = "J. C. Slater",
+ month = nov,
+ URL = "http://link.aps.org/doi/10.1103/PhysRev.92.603",
+ doi = "10.1103/PhysRev.92.603",
+ year = "1953",
+ title = "An Augmented Plane Wave Method for the Periodic
+ Potential Problem",
+ issue = "3",
+ publisher = "American Physical Society",
+ pages = "603--608",
+ notes = "augmented plane wave method",
+}
+
+@Article{phillips59,
+ volume = "116",
+ journal = "Phys. Rev.",
+ author = "James C. Phillips and Leonard Kleinman",
+ month = oct,
+ URL = "http://link.aps.org/doi/10.1103/PhysRev.116.287",
+ doi = "10.1103/PhysRev.116.287",
+ year = "1959",
+ title = "New Method for Calculating Wave Functions in Crystals
+ and Molecules",
+ issue = "2",
+ publisher = "American Physical Society",
+ pages = "287--294",
+ notes = "pseudo potential",
+}
+
+@Article{austin62,
+ volume = "127",
+ journal = "Phys. Rev.",
+ author = "B. J. Austin and V. Heine and L. J. Sham",
+ month = jul,
+ URL = "http://link.aps.org/doi/10.1103/PhysRev.127.276",
+ doi = "10.1103/PhysRev.127.276",
+ year = "1962",
+ title = "General Theory of Pseudopotentials",
+ issue = "1",
+ publisher = "American Physical Society",
+ pages = "276--282",
+ notes = "most general form of pseudo potential",
+}
+
+@Article{gonze91,
+ volume = "44",
+ journal = "Phys. Rev. B",
+ author = "Xavier Gonze and Roland Stumpf and Matthias
+ Scheffler",
+ month = oct,
+ URL = "http://link.aps.org/doi/10.1103/PhysRevB.44.8503",
+ doi = "10.1103/PhysRevB.44.8503",
+ year = "1991",
+ title = "Analysis of separable potentials",
+ issue = "16",
+ publisher = "American Physical Society",
+ pages = "8503--8513",
+}
+
+@Article{wannier37,
+ volume = "52",
+ journal = "Phys. Rev.",
+ author = "Gregory H. Wannier",
+ month = aug,
+ URL = "http://link.aps.org/doi/10.1103/PhysRev.52.191",
+ doi = "10.1103/PhysRev.52.191",
+ year = "1937",
+ title = "The Structure of Electronic Excitation Levels in
+ Insulating Crystals",
+ issue = "3",
+ publisher = "American Physical Society",
+ pages = "191--197",
+}
+
+@Article{marzari97,
+ volume = "56",
+ journal = "Phys. Rev. B",
+ author = "Nicola Marzari and David Vanderbilt",
+ month = nov,
+ URL = "http://link.aps.org/doi/10.1103/PhysRevB.56.12847",
+ doi = "10.1103/PhysRevB.56.12847",
+ year = "1997",
+ title = "Maximally localized generalized Wannier functions for
+ composite energy bands",
+ issue = "20",
+ publisher = "American Physical Society",
+ pages = "12847--12865",
+ notes = "maximal general localized wannier orbitals",
+}
+
+@Article{dirac28,
+ author = "P. A. M. Dirac",
+ title = "The Quantum Theory of the Electron",
+ volume = "117",
+ number = "778",
+ pages = "610--624",
+ year = "1928",
+ doi = "10.1098/rspa.1928.0023",
+ URL = "http://rspa.royalsocietypublishing.org/content/117/778/610.short",
+ eprint = "http://rspa.royalsocietypublishing.org/content/117/778/610.full.pdf+html",
+ journal = "Proceedings of the Royal Society of London. Series A",
+ notes = "spin orbit origin, relativistic quantum theory",
+}
+
+@Article{kleinman80,
+ title = "Relativistic norm-conserving pseudopotential",
+ author = "Leonard Kleinman",
+ journal = "Phys. Rev. B",
+ volume = "21",
+ issue = "6",
+ pages = "2630--2631",
+ year = "1980",
+ month = mar,
+ doi = "10.1103/PhysRevB.21.2630",
+ URL = "http://link.aps.org/doi/10.1103/PhysRevB.21.2630",
+ publisher = "American Physical Society",
+ notes = "first relativistic pseudopotential",
+}
+
+@Article{bachelet82,
+ title = "Relativistic norm-conserving pseudopotentials",
+ author = "Giovanni B. Bachelet and M. Schl{\"u}ter",
+ journal = "Phys. Rev. B",
+ volume = "25",
+ issue = "4",
+ pages = "2103--2108",
+ year = "1982",
+ month = feb,
+ doi = "10.1103/PhysRevB.25.2103",
+ URL = "http://link.aps.org/doi/10.1103/PhysRevB.25.2103",
+ publisher = "American Physical Society",
+}
+
+@Article{hybertsen86,
+ title = "Spin-orbit splitting in semiconductors and insulators
+ from the \textit{ab initio} pseudopotential",
+ author = "Mark S. Hybertsen and Steven G. Louie",
+ journal = "Phys. Rev. B",
+ volume = "34",
+ issue = "4",
+ pages = "2920--2922",
+ year = "1986",
+ month = aug,
+ doi = "10.1103/PhysRevB.34.2920",
+ URL = "http://link.aps.org/doi/10.1103/PhysRevB.34.2920",
+ publisher = "American Physical Society",
+ notes = "spin orbit pseudopotential formulation",
+}
+
+@Article{naveh07,
+ title = "Real-space pseudopotential method for spin-orbit
+ coupling within density functional theory",
+ author = "Doron Naveh and Leeor Kronik and Murilo L. Tiago and
+ James R. Chelikowsky",
+ journal = "Phys. Rev. B",
+ volume = "76",
+ issue = "15",
+ pages = "153407",
+ numpages = "4",
+ year = "2007",
+ month = oct,
+ doi = "10.1103/PhysRevB.76.153407",
+ URL = "http://link.aps.org/doi/10.1103/PhysRevB.76.153407",
+ publisher = "American Physical Society",
+ notes = "real space spin orbit pseudopotential implementation",
+}
+
+@Article{fornberg88,
+ author = "Bengt Fornberg",
+ title = "Generation of finite difference formulas on
+ arbitrarily spaced grids",
+ journal = "Math. Comp.",
+ volume = "51",
+ number = "",
+ pages = "699--706",
+ year = "1988",
+ doi = "http://dx.doi.org/10.1090/S0025-5718-1988-0935077-",
+ URL = "http://dx.doi.org/10.1090/S0025-5718-1988-0935077-",
+}
+
+@Article{fornberg94,
+ author = "Bengt Fornberg and David M. Sloan",
+ title = "A review of pseudospectral methods for solving partial
+ differential equations",
+ journal = "Acta Numerica",
+ volume = "3",
+ number = "",
+ pages = "203--267",
+ year = "1994",
+ doi = "10.1017/S0962492900002440",
+ URL = "http://dx.doi.org/10.1017/S0962492900002440",
+}